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51115-93-6 | 3-Trifluoroacetamidoaniline
CAS No: 51115-93-6 Catalog No: AG01EWA8 MDL No:MFCD01846473
Product Description
Catalog Number:
AG01EWA8
Chemical Name:
3-Trifluoroacetamidoaniline
CAS Number:
51115-93-6
Molecular Formula:
C8H7F3N2O
Molecular Weight:
204.1492
MDL Number:
MFCD01846473
IUPAC Name:
N-(3-aminophenyl)-2,2,2-trifluoroacetamide
InChI:
InChI=1S/C8H7F3N2O/c9-8(10,11)7(14)13-6-3-1-2-5(12)4-6/h1-4H,12H2,(H,13,14)
InChI Key:
JCUQAGUDBMBCMT-UHFFFAOYSA-N
SMILES:
Nc1cccc(c1)NC(=O)C(F)(F)F
Properties
Complexity:
217
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
204.051g/mol
Formal Charge:
0
Heavy Atom Count:
14
Hydrogen Bond Acceptor Count:
5
Hydrogen Bond Donor Count:
2
Isotope Atom Count:
0
Molecular Weight:
204.152g/mol
Monoisotopic Mass:
204.051g/mol
Rotatable Bond Count:
1
Topological Polar Surface Area:
55.1A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
1.5
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